MicroPoroChemoMechanics
A GitHub organisation hosting a Julia ecosystem for the coupled micro-chemo-mechanics of porous reactive media: structured tensors, computational chemistry, mean-field homogenisation, and the numerical backends they rely on.
MicroPoroChemoMechanics is a GitHub organisation of which I am one of the owners. It hosts a collection of Julia packages for multiscale modelling of porous reactive materials — from molecular-level thermodynamic equilibrium to macroscopic poromechanical response. The packages are designed to compose cleanly: they share conventions, are ForwardDiff-compatible, and plug into the SciML ecosystem.
Core packages
TensND.jl
Symbolic and numerical tensor calculations of any order and dimension in arbitrary coordinate systems, with structured isotropic, transversely isotropic and orthotropic types and curvilinear differential operators. It is the tensor foundation of the whole ecosystem.
ChemistryLab.jl
Computational chemistry toolkit — chemical formula handling, species management, stoichiometric matrices, ThermoFun/Cemdata database interoperability, activity models and thermodynamic equilibrium by Gibbs energy minimisation. Dimensionally aware via DynamicQuantities.
MeanFieldHom.jl
Mean-field homogenisation framework for heterogeneous materials: Hill polarisation tensors for ellipsoidal inclusions and infinite cylinders, crack-opening-displacement tensors with stress and displacement intensity factors, second-order Hill tensors for transport problems, layered spheres and confocal spheroids with imperfect interfaces, ageing linear viscoelasticity, and all the classical schemes.
Backend packages
OptimaSolver.jl
Primal-dual interior-point solver for Gibbs-energy minimization with diagonal Hessian structure and implicit-differentiation sensitivity matrices. Serves as a core solver backend for ChemistryLab.jl equilibrium computations.
DECUHR.jl
Pure-Julia port of the DECUHR algorithm (Espelid & Genz, 1994) for automatic adaptive integration of functions with vertex singularities over hyper-rectangles. Exposed as a pluggable algorithm for the SciML Integrals.jl ecosystem.
Installation and registry
TensND.jl, ChemistryLab.jl, OptimaSolver.jl and DECUHR.jl are registered in Julia’s General registry and installed with a plain Pkg.add. MeanFieldHom.jl is not registered yet and is installed from its repository URL (see its page).
The dedicated MPCM-Registry is deprecated and kept only as a frozen historical snapshot; if you added it in the past, remove it with Pkg.Registry.rm("MPCM-Registry").